Matplotlib created a temporary config/cache directory at /tmp/matplotlib-26wq6nyl because the default path (/var/www/.config/matplotlib) is not a writable directory; it is highly recommended to set the MPLCONFIGDIR environment variable to a writable directory, in particular to speed up the import of Matplotlib and to better support multiprocessing. /usr/lib/python3/dist-packages/ase/io/cif.py:401: UserWarning: crystal system 'cubic' is not interpreted for space group Spacegroup(221, setting=1). This may result in wrong setting! warnings.warn( /usr/lib/python3/dist-packages/ase/utils/__init__.py:62: FutureWarning: Please use atoms.cell.reciprocal() warnings.warn(warning) INFO: Creating lattice/cell object from /var/www/html/data/material_modeling/1000057.cif-QuantumEspresso-farhie-20230928-144655/1000057.cif INFO: supercell = [2 2 2] INFO: kpoints = [3 3 3] INFO: kpts_density= 1512 INFO: directory = /var/www/html/data/material_modeling/1000057.cif-QuantumEspresso-farhie-20230928-144655/ INFO: B6La Bravais lattive: CUB(a=4.157); Spacegroup: P m -3 m (221) INFO: Creating calculator QUANTUMESPRESSO INFO: Starting computations in file:///var/www/html/data/material_modeling/1000057.cif-QuantumEspresso-farhie-20230928-144655/ [Thu Sep 28 14:46:58 2023] INFO: Computing ground state. INFO: Computing electronic density of states. INFO: Computing electronic band structure along BZ path. INFO: Computing electronic band structure 3D grid. INFO: Saving results into file:///var/www/html/data/material_modeling/1000057.cif-QuantumEspresso-farhie-20230928-144655/ [Thu Sep 28 14:49:58 2023]